Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8324318 | 0.82 | TAAR1 (0.44) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL8326594 | 0.81 | NFE2L2 (0.44) | NFE2L2SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL8319052 | 0.81 | PNMT (0.49) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL8323856 | 0.81 | MAOA (0.49) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL8324358 | 0.81 | TAAR1 (0.43) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL8320387 | 0.80 | HTR2A (0.53) | NFE2L2SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL8322850 | 0.80 | NFE2L2 (0.45) | NFE2L2TAAR1SIGMAR1PPARGPPARA | |
| SCHEMBL8324481 | 0.80 | NFE2L2 (0.45) | NFE2L2SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL8327003 | 0.77 | TRPA1 (0.38) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL27595788 | 0.75 | NFE2L2 (0.46) | NFE2L2CYP1A2CYP3A4CYP2D6PKM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948496-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE | Amgen inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998024780-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE | AMGEN INC. (US) | 1998-06-11 | — | — | WO | disclosed |